2-[[4-(2-cyanophenyl)phenyl]methyl]-N-(4,6-dimethyl-3-nitro-pyridin-2-yl)pentanamide

Systemtic Name: 2-[[4-(2-cyanophenyl)phenyl]methyl]-N-(4,6-dimethyl-3-nitro-pyridin-2-yl)pentanamide Openeye Name: 2-[[4-(2-cyanophenyl)phenyl]methyl]-N-(4,6-dimethyl-3-nitro-2-pyridyl)pentanamide CAS Name: 2-[[4-(2-cyanophenyl)phenyl]methyl]-N-(4,6-dimethyl-3-nitro-2-pyridinyl)pentanamide IUPAC Name: 2-[[4-(2-cyanophenyl)phenyl]methyl]-N-(4,6-dimethyl-3-nitropyridin-2-yl)pentanamide Traditional Name: 2-[4-(2-cyanophenyl)benzyl]-N-(4,6-dimethyl-3-nitro-2-pyridyl)valeramide Formula: C26H26N4O3 MolecularWeight: 442.50964

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC1=CC=C(C=C1)C2=CC=CC=C2C#N)C(=O)NC3=C(C(=CC(=N3)C)C)[N+](=O)[O-]

Isomeric SMILES

CCCC(CC1=CC=C(C=C1)C2=CC=CC=C2C#N)C(=O)NC3=C(C(=CC(=N3)C)C)[N+](=O)[O-]

InChI

InChI=1S/C26H26N4O3/c1-4-7-21(26(31)29-25-24(30(32)33)17(2)14-18(3)28-25)15-19-10-12-20(13-11-19)23-9-6-5-8-22(23)16-27/h5-6,8-14,21H,4,7,15H2,1-3H3,(H,28,29,31)